3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol

C9H13ClN2O — CID 164644976

IUPAC3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
SMILESCn1c(C2CCC(O)C2)cnc1Cl
InChIInChI=1S/C9H13ClN2O/c1-12-8(5-11-9(12)10)6-2-3-7(13)4-6/h5-7,13H,2-4H2,1H3
InChIKeyYTWWTMKVLMFACL-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.70
Rot. Bonds1

About 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol

3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol (PubChem CID 164644976) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
PubChem CID164644976
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
SMILESCn1c(C2CCC(O)C2)cnc1Cl
InChIInChI=1S/C9H13ClN2O/c1-12-8(5-11-9(12)10)6-2-3-7(13)4-6/h5-7,13H,2-4H2,1H3
InChIKeyYTWWTMKVLMFACL-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
CID 117259842
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
CID 117259825
3-(2-chloro-3-methylimidazol-4-yl)-3-methylcyclopentan-1-ol
CID 164644980
2,5-dichloro-1-methylimidazole
CID 21298109
2-chloro-5-cyclohexyl-1-ethylimidazole
CID 117260188
3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 64516023
3-(2-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
CID 130530013
2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
CID 117260181
(2-chloro-3-methylimidazol-4-yl)methanol
CID 59589424
3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
CID 130905531
3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol
CID 106463551
2-(3-propylimidazol-4-yl)oxan-4-ol
CID 66129854

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol?
The IUPAC name of 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol (CID 164644976) is 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol is Cn1c(C2CCC(O)C2)cnc1Cl.
What is the InChIKey of 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol?
The InChIKey is YTWWTMKVLMFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12-8(5-11-9(12)10)6-2-3-7(13)4-6/h5-7,13H,2-4H2,1H3.
What are the key properties of 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol?
3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 164644976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).